2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine

C12H23N3O2 — CID 79495582

IUPAC2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine
SMILESCCOC(OCC)C(NC)c1nccn1CC
InChIInChI=1S/C12H23N3O2/c1-5-15-9-8-14-11(15)10(13-4)12(16-6-2)17-7-3/h8-10,12-13H,5-7H2,1-4H3
InChIKeyMLDJWBVKCYKSSY-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.56
Rot. Bonds8

About 2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine

2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine (PubChem CID 79495582) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine
PubChem CID79495582
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine
SMILESCCOC(OCC)C(NC)c1nccn1CC
InChIInChI=1S/C12H23N3O2/c1-5-15-9-8-14-11(15)10(13-4)12(16-6-2)17-7-3/h8-10,12-13H,5-7H2,1-4H3
InChIKeyMLDJWBVKCYKSSY-UHFFFAOYSA-N
XLogP1.56
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine
CID 63968362
1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 63967915
2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 64534593
[2-ethoxy-1-(1-ethylimidazol-2-yl)propyl]hydrazine
CID 105222708
2-ethoxy-N-ethyl-1-(1-ethylimidazol-2-yl)propan-1-amine
CID 64533396
[1-(1-ethylimidazol-2-yl)-2,2-dimethoxyethyl]hydrazine
CID 105245886
3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 63199792
1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 115860159
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-amine
CID 63967917
2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol
CID 116712316
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine?
The IUPAC name of 2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine (CID 79495582) is 2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine is CCOC(OCC)C(NC)c1nccn1CC.
What is the InChIKey of 2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine?
The InChIKey is MLDJWBVKCYKSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-15-9-8-14-11(15)10(13-4)12(16-6-2)17-7-3/h8-10,12-13H,5-7H2,1-4H3.
What are the key properties of 2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine?
2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine has a molecular weight of 241.33 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 79495582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).